1-methoxy-4,5-dihydroimidazole

C4H8N2O — CID 68739257

IUPAC1-methoxy-4,5-dihydroimidazole
SMILESCON1C=NCC1
InChIInChI=1S/C4H8N2O/c1-7-6-3-2-5-4-6/h4H,2-3H2,1H3
InChIKeyOVDMMONTBGRLQT-UHFFFAOYSA-N
MW100.12 g/mol
LogP-0.11
Rot. Bonds1

About 1-methoxy-4,5-dihydroimidazole

1-methoxy-4,5-dihydroimidazole (PubChem CID 68739257) has the molecular formula C4H8N2O and a molecular weight of 100.12 g/mol. Its IUPAC name is 1-methoxy-4,5-dihydroimidazole.

Molecular Properties

Compound Name1-methoxy-4,5-dihydroimidazole
PubChem CID68739257
Molecular FormulaC4H8N2O
Molecular Weight100.12 g/mol
Exact Mass100.06
IUPAC Name1-methoxy-4,5-dihydroimidazole
SMILESCON1C=NCC1
InChIInChI=1S/C4H8N2O/c1-7-6-3-2-5-4-6/h4H,2-3H2,1H3
InChIKeyOVDMMONTBGRLQT-UHFFFAOYSA-N
XLogP-0.11
TPSA24.83 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500100.12
LogP ≤ 5-0.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-Ethoxy-4,5-dihydroimidazole
CID 21183274
4,5-Dihydroimidazol-1-yl methyl sulfite
CID 56973956
1-(4,5-Dihydroimidazol-1-yloxy)-4,5-dihydroimidazole
CID 57007028
1-Ethyl-1-hydroxy-4,5-dihydroimidazol-1-ium
CID 57120333
3-Hydroxy-1,1-dimethyl-4,5-dihydroimidazole-1,3-diium
CID 57144530
1-Methyl-1-oxido-4,5-dihydroimidazol-1-ium
CID 57468054
1-(Methoxymethyl)-4,5-dihydroimidazole
CID 90901850
1-Ethoxy-1-methyl-4,5-dihydroimidazol-1-ium
CID 151505338
1-Propoxy-4,5-dihydroimidazole
CID 151892094
4,5-Dihydroimidazol-1-yl methyl sulfate
CID 153939496
1-Ethoxy-4,5-dihydroimidazole;hydrochloride
CID 172779850
1-Ethyl-1-oxido-4,5-dihydroimidazol-1-ium
CID 172787914

Frequently Asked Questions

What is the IUPAC name of 1-methoxy-4,5-dihydroimidazole?
The IUPAC name of 1-methoxy-4,5-dihydroimidazole (CID 68739257) is 1-methoxy-4,5-dihydroimidazole.
What is the SMILES notation for 1-methoxy-4,5-dihydroimidazole?
The canonical SMILES for 1-methoxy-4,5-dihydroimidazole is CON1C=NCC1.
What is the InChIKey of 1-methoxy-4,5-dihydroimidazole?
The InChIKey is OVDMMONTBGRLQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H8N2O/c1-7-6-3-2-5-4-6/h4H,2-3H2,1H3.
What are the key properties of 1-methoxy-4,5-dihydroimidazole?
1-methoxy-4,5-dihydroimidazole has a molecular weight of 100.12 g/mol, XLogP of -0.11, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methoxy-4,5-dihydroimidazole is sourced from PubChem (CID 68739257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).